Geometry & MOs

Info

ID:

83283

PubChem CID:

49857399

Reduced:

F2S2O3N4C18H20 (1)

Stoich.:

A2B2C3D4E18F20 (1)

Weight, g/mol:

511.172325

ΔHf, kcal/mol:

-183.56

Dipole, Da:

6.11

IP(EA), eV:

 -9.16(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[(4R)-2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)carbamoyl]-5-methylthiophen-2-yl]-4-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)[C@@H]2C[C@H](CN2C(=O)[C@H](C)NC(=O)C)F)C(=O)NC3=NC=C(S3)F

DOS

IR

Vibrations